CID 71332392

100675-39-6

Structural Information

Molecular Formula

C₁₃H₁₈ClNO₂

SMILES

CCC1=C(C(=CC=C1)CC)N(CO)C(=O)CCl

InChI

InChI=1S/C13H18ClNO2/c1-3-10-6-5-7-11(4-2)13(10)15(9-16)12(17)8-14/h5-7,16H,3-4,8-9H2,1-2H3

InChIKey

ZROZUVJQGAITPU-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,6-diethylphenyl)-N-(hydroxymethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 255.1026 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.10988	157.4
[M+Na]+	278.09182	169.3
[M+NH4]+	273.13642	165.0
[M+K]+	294.06576	162.7
[M-H]-	254.09532	159.3
[M+Na-2H]-	276.07727	162.7
[M]+	255.10205	159.8
[M]-	255.10315	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe